N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide

C21H19N3O4S2 — CID 55516148

IUPACN-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H19N3O4S2/c25-20(15-7-9-18(10-8-15)24-11-3-13-30(24,27)28)22-16-4-1-5-17(14-16)23-21(26)19-6-2-12-29-19/h1-2,4-10,12,14H,3,11,13H2,(H,22,25)(H,23,26)
InChIKeyJUFWVZUIPNLGCH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.79
Rot. Bonds5

About N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 55516148) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID55516148
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC NameN-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C21H19N3O4S2/c25-20(15-7-9-18(10-8-15)24-11-3-13-30(24,27)28)22-16-4-1-5-17(14-16)23-21(26)19-6-2-12-29-19/h1-2,4-10,12,14H,3,11,13H2,(H,22,25)(H,23,26)
InChIKeyJUFWVZUIPNLGCH-UHFFFAOYSA-N
XLogP3.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669414
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110994
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55617109
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide (CID 55516148) is N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is JUFWVZUIPNLGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c25-20(15-7-9-18(10-8-15)24-11-3-13-30(24,27)28)22-16-4-1-5-17(14-16)23-21(26)19-6-2-12-29-19/h1-2,4-10,12,14H,3,11,13H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55516148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).